(Q27117398)

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

6 October 2016

stereoisomer of

(R,R,R)-avenic acid A

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₂H₂₂N₂O₈

1 reference

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

6 October 2016

canonical SMILES

C(CNC(CCO)C(=O)O)C(C(=O)O)NCCC(C(=O)O)O

1 reference

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

6 October 2016

isomeric SMILES

C(CN[C@@H](CCO)C(=O)O)[C@@H](C(=O)O)NCC[C@@H](C(=O)O)O

1 reference

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

InChI=1S/C12H22N2O8/c15-6-3-8(11(19)20)13-4-1-7(10(17)18)14-5-2-9(16)12(21)22/h7-9,13-16H,1-6H2,(H,17,18)(H,19,20)(H,21,22)/t7-,8-,9-/m0/s1

6 October 2016

Identifiers

InChI

1 reference

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

QUKMQOBHQMWLLR-CIUDSAMLSA-N

6 October 2016

InChIKey

2 references

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

CAS (formerly Chemical Abstracts Service)

6 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

76224-57-2

1 reference

stated in

25 January 2022

1 reference

N-[(3S)-3-Carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

6 October 2016

1 reference

N-[(3S)-3-carboxy-3-{[(3S)-3-carboxy-3-hydroxypropyl]amino}propyl]-L-homoserine (English)

6 October 2016

Reaxys registry number

5298480

1 reference

(S,S,S)-avenic acid A (English)

6 October 2016

5298479

1 reference

(S,S,S)-avenic acid A (English)

6 October 2016

ChEBI ID

38154

mapping relation type

1 reference